1-ethoxybut-3-en-2-ylhydrazine

C6H14N2O — CID 105235208

IUPAC1-ethoxybut-3-en-2-ylhydrazine
SMILESC=CC(COCC)NN
InChIInChI=1S/C6H14N2O/c1-3-6(8-7)5-9-4-2/h3,6,8H,1,4-5,7H2,2H3
InChIKeyXMMTZAPTXZMZRC-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.04
Rot. Bonds5

About 1-ethoxybut-3-en-2-ylhydrazine

1-ethoxybut-3-en-2-ylhydrazine (PubChem CID 105235208) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-ethoxybut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-ethoxybut-3-en-2-ylhydrazine
PubChem CID105235208
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-ethoxybut-3-en-2-ylhydrazine
SMILESC=CC(COCC)NN
InChIInChI=1S/C6H14N2O/c1-3-6(8-7)5-9-4-2/h3,6,8H,1,4-5,7H2,2H3
InChIKeyXMMTZAPTXZMZRC-UHFFFAOYSA-N
XLogP0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxybut-3-en-2-ylhydrazine?
The IUPAC name of 1-ethoxybut-3-en-2-ylhydrazine (CID 105235208) is 1-ethoxybut-3-en-2-ylhydrazine.
What is the SMILES notation for 1-ethoxybut-3-en-2-ylhydrazine?
The canonical SMILES for 1-ethoxybut-3-en-2-ylhydrazine is C=CC(COCC)NN.
What is the InChIKey of 1-ethoxybut-3-en-2-ylhydrazine?
The InChIKey is XMMTZAPTXZMZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-6(8-7)5-9-4-2/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of 1-ethoxybut-3-en-2-ylhydrazine?
1-ethoxybut-3-en-2-ylhydrazine has a molecular weight of 130.19 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybut-3-en-2-ylhydrazine is sourced from PubChem (CID 105235208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).